5UNP

Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2015-05-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977
Spacegroup name	I 41
Unit cell lengths	141.252, 141.252, 124.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 2.920
R-factor	0.20229
Rwork	0.201
R-free	0.23385
RMSD bond length	0.007
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.920
Number of reflections	26725
<I/σ(I)>	23
Completeness [%]	99.8
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M Hepes (pH 7.0), 0.2M KBr, 0.2M KSCN, 0.4-1.8% PGA (poly-gama-glutamic acid) and 1-4% PEG MME M.W. 2,000